[4-[(E)-2-cyanoethenyl]cyclohexyl] 4-butylbenzoate

Systemtic Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-butylbenzoate Openeye Name: [4-[(E)-2-cyanovinyl]cyclohexyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[(E)-2-cyanoethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyanoethenyl]cyclohexyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[(E)-2-cyanovinyl]cyclohexyl] ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)C=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)/C=C/C#N

InChI

InChI=1S/C20H25NO2/c1-2-3-5-16-7-11-18(12-8-16)20(22)23-19-13-9-17(10-14-19)6-4-15-21/h4,6-8,11-12,17,19H,2-3,5,9-10,13-14H2,1H3/b6-4+